@article{b.grabowski20111, author = {B. Grabowski and P. Söderlind and T. Hickel and J. Neugebauer}, title = {Temperaturedriven phase transitions from first principles including all relevant excitations: the fcctobcc transition in Ca}, journal = {Physical Review B}, volume = {84}, OPTnumber = {}, OPTmonth = {01}, year = {2011}, OPTpages = {214107}, OPTnote = {}, OPTkey = {totalenergy calculations; augmentedwave method; thermalexpansion; electrongas; basisset; metals; semiconductors; elements; calcium; state}, DOI = {10.1103/PhysRevB.84.214107} }